Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    4.2579   -0.0663   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2191   -0.8274    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339   -0.2478    0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732   -0.3318   -0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3017    0.1784    0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785    0.6836    1.6601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804    0.1409   -0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9579   -1.2917   -0.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6685    0.7724    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3628    0.9452   -1.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560    0.9620    0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1205   -0.4695   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -1.8792   -0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2433    0.8015    1.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8437   -0.8539    1.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8637   -1.2760   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1358   -1.8673   -0.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -1.7547    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0188    0.0945    1.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2494    1.6768    1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5063    1.1408   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2487    1.5649   -1.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561    0.2767   -2.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4906    1.6279   -1.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers